1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea

C13H15ClN4O — CID 2804810

IUPAC1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O/c14-11-2-4-12(5-3-11)17-13(19)16-6-1-8-18-9-7-15-10-18/h2-5,7,9-10H,1,6,8H2,(H2,16,17,19)
InChIKeySNQYQRBZLIAPFA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.75
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea

1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea (PubChem CID 2804810) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
PubChem CID2804810
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O/c14-11-2-4-12(5-3-11)17-13(19)16-6-1-8-18-9-7-15-10-18/h2-5,7,9-10H,1,6,8H2,(H2,16,17,19)
InChIKeySNQYQRBZLIAPFA-UHFFFAOYSA-N
XLogP2.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Chlorophenyl)-1H-imidazole
CID 142859
1-(3,5-dichlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 9840258
1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10589625
1-(3-Chlorophenyl)-1H-imidazole
CID 99349
3-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948458
N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
1-(2-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10613497
1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one
CID 10728865
1-(4-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10851096
1-(4-chlorophenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 3585502
N-(4-chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 1841807
3-imidazol-1-yl-N-phenylbutanamide
CID 4876350

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea (CID 2804810) is 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea is O=C(NCCCn1ccnc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea?
The InChIKey is SNQYQRBZLIAPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-11-2-4-12(5-3-11)17-13(19)16-6-1-8-18-9-7-15-10-18/h2-5,7,9-10H,1,6,8H2,(H2,16,17,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea?
1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea has a molecular weight of 278.74 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea is sourced from PubChem (CID 2804810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).